(3S,4S)-1,3,4-triphenylazetidin-2-one

C21H17NO — CID 6992936

IUPAC(3S,4S)-1,3,4-triphenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H17NO/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(21)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20+/m0/s1
InChIKeyIUQCUELHHDRDJI-VQTJNVASSA-N
MW299.37 g/mol
LogP4.56
Rot. Bonds3

About (3S,4S)-1,3,4-triphenylazetidin-2-one

(3S,4S)-1,3,4-triphenylazetidin-2-one (PubChem CID 6992936) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S,4S)-1,3,4-triphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1,3,4-triphenylazetidin-2-one
PubChem CID6992936
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(3S,4S)-1,3,4-triphenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H17NO/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(21)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20+/m0/s1
InChIKeyIUQCUELHHDRDJI-VQTJNVASSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,3,4-triphenylazetidin-2-one?
The IUPAC name of (3S,4S)-1,3,4-triphenylazetidin-2-one (CID 6992936) is (3S,4S)-1,3,4-triphenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1,3,4-triphenylazetidin-2-one?
The canonical SMILES for (3S,4S)-1,3,4-triphenylazetidin-2-one is O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (3S,4S)-1,3,4-triphenylazetidin-2-one?
The InChIKey is IUQCUELHHDRDJI-VQTJNVASSA-N. The full InChI is InChI=1S/C21H17NO/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(21)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20+/m0/s1.
What are the key properties of (3S,4S)-1,3,4-triphenylazetidin-2-one?
(3S,4S)-1,3,4-triphenylazetidin-2-one has a molecular weight of 299.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3,4-triphenylazetidin-2-one is sourced from PubChem (CID 6992936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).